SCHEMBL11301461

SCHEMBL11301461

Cc1cc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(Br)cc4C)cc3)cc2)cc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(Br)cc4C)cc3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
EPAS1 Q99814 3/20 0.46
RAPGEF4 Q8WZA2 2/20 0.41
ALDH1A1 P00352 4/20 0.38
PTPN1 P18031 1/20 0.37
PKM P14618 2/20 0.37
GAA P10253 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
TBXA2R P21731 1/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 2/20 0.35
APEX1 P27695 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11293471 0.96 HTT (0.46) HTTL3MBTL1TDP1SMN1; SMN2EPAS1
SCHEMBL11296514 0.95 HTT (0.47) HTTL3MBTL1TDP1SMN1; SMN2EPAS1
SCHEMBL11297725 0.92 HTT (0.48) HTTL3MBTL1TDP1SMN1; SMN2EPAS1
SCHEMBL9859653 0.92 HTT (0.46) HTTL3MBTL1TDP1SMN1; SMN2EPAS1
SCHEMBL11292165 0.90 HTT (0.49) HTTL3MBTL1TDP1SMN1; SMN2EPAS1
SCHEMBL11294592 0.90 HTT (0.49) HTTL3MBTL1TDP1SMN1; SMN2EPAS1
SCHEMBL11290154 0.88 HTT (0.47) HTTL3MBTL1TDP1SMN1; SMN2EPAS1
SCHEMBL11299866 0.88 HTT (0.51) HTTL3MBTL1TDP1SMN1; SMN2EPAS1
SCHEMBL11299921 0.85 PKM (0.50) HTTL3MBTL1TDP1SMN1; SMN2RAPGEF4
SCHEMBL11295332 0.84 HTT (0.46) HTTL3MBTL1TDP1SMN1; SMN2EPAS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4356325-A Process for preparation of acetylene terminated sulfones, oligomers and precursors therefor GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-10-26 US disclosed